#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyq h LYS 3 N 0.00 0.96 0.00 -1.46 3.64 -1.92 -3.12 116.57 114.68 1qyq h LYS 3 Ca 0.00 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1qyq h LYS 3 Cb 0.00 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1qyq h LYS 3 CO 0.00 1.13 -0.12 0.78 -2.27 0.00 0.00 179.45 178.98 1qyq h GLY 4 N 0.80 0.00 1.86 5.01 0.00 -1.73 -3.11 103.07 105.91 1qyq h GLY 4 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1qyq h GLY 4 CO 0.08 0.00 0.07 -2.09 0.00 0.00 0.00 176.54 174.61 1qyq h GLU 5 N 0.00 0.18 -0.61 4.80 4.57 -1.70 -2.78 114.58 119.05 1qyq h GLU 5 Ca -0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1qyq h GLU 5 Cb 0.52 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 1qyq h GLU 5 CO 0.02 0.14 0.41 0.93 -1.18 0.00 0.00 179.01 179.32 1qyq h GLU 6 N 0.19 0.50 0.00 1.92 5.08 -1.70 -1.76 114.58 118.80 1qyq h GLU 6 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qyq h GLU 6 Cb 0.01 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1qyq h GLU 6 CO -0.01 0.33 0.00 1.28 -1.00 0.00 0.00 179.01 179.61 1qyq n LEU 7 N -4.48 0.38 -0.80 1.33 4.77 -1.05 -3.35 117.00 113.81 1qyq n LEU 7 Ca 0.09 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.72 1qyq n LEU 7 Cb 0.30 -0.50 0.22 0.00 -2.33 0.00 0.00 43.42 41.11 1qyq n LEU 7 CO 0.34 -0.32 0.68 0.49 -1.33 0.00 0.00 177.39 177.24 1qyq n PHE 8 N -1.90 0.77 0.26 -1.77 3.01 -0.66 -4.67 117.46 112.49 1qyq n PHE 8 Ca 0.04 -0.74 0.14 0.00 1.01 0.00 0.00 57.45 57.90 1qyq n PHE 8 Cb 0.26 -0.21 0.59 0.00 -0.01 0.00 0.00 39.48 40.11 1qyq n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1qyq h THR 9 N 1.89 0.23 -2.18 4.37 1.35 -1.63 -3.39 112.91 113.56 1qyq h THR 9 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1qyq h THR 9 Cb 1.19 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1qyq h THR 9 CO 0.14 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 1qyq n GLY 10 N 0.07 6.81 3.67 5.82 0.00 -1.26 -4.87 105.19 115.43 1qyq n GLY 10 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1qyq n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qyq s VAL 11 N 0.59 4.87 -0.16 1.61 1.01 -1.26 -4.47 120.40 122.58 1qyq s VAL 11 Ca 0.00 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.64 1qyq s VAL 11 Cb 0.00 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1qyq s VAL 11 CO 0.00 0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.34 1qyq s VAL 12 N 2.17 3.38 0.32 2.92 1.01 0.07 -4.94 120.40 125.33 1qyq s VAL 12 Ca 0.39 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1qyq s VAL 12 Cb -0.17 -2.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.65 1qyq s VAL 12 CO 0.13 0.49 1.24 -2.84 0.00 0.00 0.00 175.10 174.12 1qyq s PRO 13 N 0.59 4.45 -0.02 2.72 0.02 -1.26 -0.81 135.00 140.68 1qyq s PRO 13 Ca -0.05 2.07 0.07 0.00 0.02 0.00 0.00 61.00 63.12 1qyq s PRO 13 Cb -0.15 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 1qyq s PRO 13 CO 0.03 -0.06 -0.24 0.42 -0.33 0.00 0.00 177.00 176.82 1qyq s ILE 14 N -1.15 2.24 -0.07 2.83 1.01 0.37 -1.04 121.20 125.39 1qyq s ILE 14 Ca 0.47 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1qyq s ILE 14 Cb -0.37 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1qyq s ILE 14 CO 0.49 0.56 -0.11 -0.76 0.00 0.00 0.00 174.94 175.11 1qyq s LEU 15 N -0.70 1.58 -0.05 2.97 1.43 -0.34 -1.64 118.68 121.93 1qyq s LEU 15 Ca 0.10 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1qyq s LEU 15 Cb -0.10 -0.81 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 1qyq s LEU 15 CO -0.00 0.01 -0.19 -0.69 0.23 0.00 0.00 176.35 175.71 1qyq s VAL 16 N 0.80 1.55 -0.05 -1.59 1.01 0.22 -0.62 120.40 121.72 1qyq s VAL 16 Ca -0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1qyq s VAL 16 Cb -0.15 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.93 1qyq s VAL 16 CO 0.02 0.44 0.01 -1.61 0.00 0.00 0.00 175.10 173.96 1qyq s GLU 17 N 0.01 0.44 -0.03 2.72 0.41 -0.21 0.14 118.70 122.17 1qyq s GLU 17 Ca -0.04 0.12 0.04 0.00 -0.41 0.00 0.00 54.97 54.67 1qyq s GLU 17 Cb -0.12 -0.74 -0.00 0.00 -1.78 0.00 0.00 34.13 31.49 1qyq s GLU 17 CO 0.03 -0.23 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.25 1qyq s LEU 18 N 1.60 1.90 -0.17 1.80 0.20 0.19 0.01 118.68 124.20 1qyq s LEU 18 Ca -0.01 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.54 1qyq s LEU 18 Cb -0.13 -0.78 0.01 0.00 -0.43 0.00 0.00 46.19 44.86 1qyq s LEU 18 CO -0.03 0.13 -0.18 -1.81 -0.29 0.00 0.00 176.35 174.17 1qyq s ASP 19 N 0.00 3.33 0.19 3.68 1.01 -0.44 -0.83 116.67 123.61 1qyq s ASP 19 Ca -0.01 -0.59 0.07 0.00 0.71 0.00 0.00 52.55 52.73 1qyq s ASP 19 Cb -0.09 -1.51 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 1qyq s ASP 19 CO 0.01 0.03 -0.13 -0.83 0.21 0.00 0.00 175.17 174.45 1qyq s GLY 20 N 1.12 1.34 -0.24 0.21 0.00 0.11 -0.77 107.32 109.10 1qyq s GLY 20 Ca 0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 1qyq s GLY 20 CO -0.07 -1.72 0.32 -0.35 0.00 0.00 0.00 173.10 171.28 1qyq s ASP 21 N -3.28 0.76 -0.24 1.64 -1.08 -0.49 -1.00 116.67 112.99 1qyq s ASP 21 Ca 0.21 -0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.19 1qyq s ASP 21 Cb -0.00 0.83 0.05 0.00 -1.46 0.00 0.00 42.92 42.33 1qyq s ASP 21 CO 0.05 -0.32 -0.13 -0.69 0.52 0.00 0.00 175.17 174.60 1qyq s VAL 22 N 2.46 2.21 -1.32 1.11 1.01 -0.79 0.59 120.40 125.67 1qyq s VAL 22 Ca 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1qyq s VAL 22 Cb -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1qyq s VAL 22 CO -0.18 0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.66 1qyq n ASN 23 N 4.51 -4.45 0.00 3.32 4.13 -0.03 -1.10 115.26 121.63 1qyq n ASN 23 Ca -0.16 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1qyq n ASN 23 Cb 0.45 -3.79 0.00 0.00 -1.54 0.00 0.00 39.78 34.90 1qyq n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qyq n GLY 24 N -0.79 0.50 3.47 7.41 0.00 -1.26 -5.03 105.19 109.49 1qyq n GLY 24 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1qyq n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qyq s HIS 25 N -2.20 2.73 0.14 1.61 3.76 -0.26 -5.02 115.29 116.04 1qyq s HIS 25 Ca 0.00 -0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 54.24 1qyq s HIS 25 Cb 0.00 -4.18 -0.07 0.00 1.11 0.00 0.00 32.58 29.44 1qyq s HIS 25 CO 0.00 -1.53 0.81 0.15 -0.85 0.00 0.00 174.74 173.32 1qyq s LYS 26 N 3.93 4.59 0.20 1.40 1.02 -1.26 -1.88 119.74 127.74 1qyq s LYS 26 Ca 0.24 1.20 -0.16 0.00 0.02 0.00 0.00 55.97 57.26 1qyq s LYS 26 Cb -0.16 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.87 1qyq s LYS 26 CO 0.13 0.45 0.51 -0.59 -0.92 0.00 0.00 175.35 174.93 1qyq s PHE 27 N -0.75 -0.02 0.00 3.18 -0.71 -0.17 -4.99 117.98 114.54 1qyq s PHE 27 Ca 0.38 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.94 1qyq s PHE 27 Cb -0.23 0.34 -0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1qyq s PHE 27 CO 0.26 -0.92 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.07 1qyq s SER 28 N -2.90 0.28 -0.04 1.98 0.01 -1.26 0.07 113.70 111.84 1qyq s SER 28 Ca 0.12 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1qyq s SER 28 Cb -0.01 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.21 1qyq s SER 28 CO -0.01 -0.02 -0.15 -0.69 0.41 0.00 0.00 173.24 172.78 1qyq s VAL 29 N -0.27 1.26 -0.08 3.43 1.01 -0.01 -1.65 120.40 124.09 1qyq s VAL 29 Ca -0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1qyq s VAL 29 Cb -0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1qyq s VAL 29 CO -0.00 0.37 -0.19 -0.55 0.00 0.00 0.00 175.10 174.73 1qyq s SER 30 N 0.07 3.57 0.02 3.32 0.15 -0.36 -0.64 113.70 119.83 1qyq s SER 30 Ca -0.03 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.26 1qyq s SER 30 Cb -0.11 -1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 63.02 1qyq s SER 30 CO 0.02 0.23 -0.11 -0.83 1.20 0.00 0.00 173.24 173.75 1qyq s GLY 31 N -0.05 0.58 0.01 9.45 0.00 0.12 -0.65 107.32 116.78 1qyq s GLY 31 Ca -0.05 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1qyq s GLY 31 CO 0.04 -0.57 -0.03 -0.54 0.00 0.00 0.00 173.10 172.00 1qyq s GLU 32 N -0.75 0.26 0.00 2.90 2.02 -0.52 -0.61 118.70 122.01 1qyq s GLU 32 Ca 0.01 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1qyq s GLU 32 Cb -0.06 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.07 1qyq s GLU 32 CO 0.00 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1qyq n GLY 33 N 2.35 -0.70 3.02 -1.39 0.00 -0.65 -0.81 105.19 107.01 1qyq n GLY 33 Ca -0.17 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1qyq n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qyq s GLU 34 N -0.24 0.45 -0.02 1.61 2.02 -0.28 -0.48 118.70 121.76 1qyq s GLU 34 Ca 0.00 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1qyq s GLU 34 Cb 0.00 -0.23 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 1qyq s GLU 34 CO 0.00 0.04 -0.13 0.20 0.02 0.00 0.00 175.26 175.39 1qyq s GLY 35 N -1.21 0.68 -0.41 -1.39 0.00 0.01 -1.42 107.32 103.58 1qyq s GLY 35 Ca -0.08 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.09 1qyq s GLY 35 CO 0.00 -0.42 0.22 -0.35 0.00 0.00 0.00 173.10 172.55 1qyq s ASP 36 N -0.21 3.62 0.56 1.64 3.68 0.73 -0.75 116.67 125.95 1qyq s ASP 36 Ca 0.03 -2.46 0.24 0.00 2.13 0.00 0.00 52.55 52.50 1qyq s ASP 36 Cb -0.06 -0.95 1.57 0.00 -1.45 0.00 0.00 42.92 42.03 1qyq s ASP 36 CO -0.00 -0.29 2.17 0.00 0.13 0.00 0.00 175.17 177.18 1qyq h ALA 37 N 6.92 1.82 -0.06 3.66 0.00 -1.75 -1.63 119.26 128.21 1qyq h ALA 37 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qyq h ALA 37 Cb 0.94 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qyq h ALA 37 CO 0.46 -0.11 0.04 1.15 0.00 0.00 0.00 179.25 180.79 1qyq h THR 38 N 0.00 1.00 -0.07 0.00 2.02 -1.88 -2.13 112.91 111.85 1qyq h THR 38 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1qyq h THR 38 Cb 0.17 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1qyq h THR 38 CO -0.00 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.68 1qyq n TYR 39 N -4.53 0.09 -3.17 3.16 4.01 -0.94 -4.97 117.16 110.81 1qyq n TYR 39 Ca -0.02 -0.39 -0.23 0.00 -0.16 0.00 0.00 57.90 57.11 1qyq n TYR 39 Cb 0.11 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1qyq n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qyq n GLY 40 N -0.16 -0.51 3.61 2.72 0.00 -0.70 -4.76 105.19 105.38 1qyq n GLY 40 Ca 0.03 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1qyq n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qyq s LYS 41 N -5.84 3.59 -0.05 1.61 2.20 -0.70 -0.80 119.74 119.74 1qyq s LYS 41 Ca 0.35 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1qyq s LYS 41 Cb -0.17 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1qyq s LYS 41 CO 0.43 0.39 -0.08 -0.51 -0.36 0.00 0.00 175.35 175.23 1qyq s LEU 42 N -0.02 1.51 -0.14 5.43 1.02 -0.50 -0.19 118.68 125.78 1qyq s LEU 42 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1qyq s LEU 42 Cb -0.13 -0.60 0.03 0.00 0.02 0.00 0.00 46.19 45.51 1qyq s LEU 42 CO 0.02 -0.01 -0.12 0.42 0.02 0.00 0.00 176.35 176.69 1qyq s THR 43 N 0.73 1.40 0.01 5.49 -4.23 -0.50 -1.11 115.64 117.43 1qyq s THR 43 Ca -0.12 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1qyq s THR 43 Cb -0.14 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.32 1qyq s THR 43 CO 0.02 0.39 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.70 1qyq s LEU 44 N 1.55 2.14 -0.13 4.79 1.43 -0.19 -1.13 118.68 127.14 1qyq s LEU 44 Ca 0.04 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1qyq s LEU 44 Cb -0.13 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.09 1qyq s LEU 44 CO -0.10 -0.15 -0.21 -0.75 0.23 0.00 0.00 176.35 175.37 1qyq s LYS 45 N -0.87 2.87 -0.01 1.70 2.20 0.01 -0.24 119.74 125.40 1qyq s LYS 45 Ca -0.08 -0.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1qyq s LYS 45 Cb -0.06 -2.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 1qyq s LYS 45 CO -0.00 -0.00 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.82 1qyq s PHE 46 N 0.80 2.80 -0.03 4.03 0.40 0.70 -1.43 117.98 125.25 1qyq s PHE 46 Ca -0.08 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1qyq s PHE 46 Cb -0.16 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1qyq s PHE 46 CO -0.01 0.31 -0.06 0.42 0.70 0.00 0.00 175.22 176.59 1qyq s ILE 47 N -0.92 0.58 -0.46 0.64 1.01 0.17 -1.62 121.20 120.60 1qyq s ILE 47 Ca 0.15 -0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.32 1qyq s ILE 47 Cb -0.11 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.84 1qyq s ILE 47 CO 0.05 0.20 1.00 0.00 0.00 0.00 0.00 174.94 176.20 1qyq n THR 49 N 6.54 0.44 0.57 0.00 -2.24 -0.66 -3.67 114.28 115.26 1qyq n THR 49 Ca 0.08 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1qyq n THR 49 Cb 0.49 -0.61 0.19 0.00 -2.10 0.00 0.00 70.33 68.30 1qyq n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qyq n THR 50 N -2.00 0.33 0.00 4.28 -2.24 -1.25 -4.99 114.28 108.41 1qyq n THR 50 Ca 0.06 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1qyq n THR 50 Cb 0.38 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1qyq n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qyq n GLY 51 N 1.45 0.23 3.82 3.38 0.00 -1.24 -5.00 105.19 107.82 1qyq n GLY 51 Ca 0.18 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 1qyq n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qyq s LYS 52 N 0.00 4.00 -0.03 1.61 2.20 -1.26 -4.45 119.74 121.81 1qyq s LYS 52 Ca 0.00 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.77 1qyq s LYS 52 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1qyq s LYS 52 CO 0.00 0.63 1.24 -1.17 -0.36 0.00 0.00 175.35 175.69 1qyq s LEU 53 N -0.90 4.30 0.00 5.43 2.96 -1.26 -4.93 118.68 124.28 1qyq s LEU 53 Ca 0.25 1.90 0.24 0.00 -0.22 0.00 0.00 54.13 56.30 1qyq s LEU 53 Cb -0.17 -3.56 1.12 0.00 0.50 0.00 0.00 46.19 44.08 1qyq s LEU 53 CO 0.14 -0.60 1.78 -0.81 -1.32 0.00 0.00 176.35 175.54 1qyq n PRO 54 N 5.07 0.18 -4.37 0.98 -0.04 -1.26 -4.80 135.00 130.77 1qyq n PRO 54 Ca 0.11 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1qyq n PRO 54 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1qyq n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qyq s VAL 55 N -2.77 1.91 0.44 0.52 -7.23 -1.26 -4.68 120.40 107.33 1qyq s VAL 55 Ca 0.18 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 57.95 1qyq s VAL 55 Cb 0.16 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.98 1qyq s VAL 55 CO 0.40 -0.48 1.11 -2.84 -0.31 0.00 0.00 175.10 172.98 1qyq s PRO 56 N -3.37 3.90 0.27 4.82 0.02 -1.26 -4.95 135.00 134.42 1qyq s PRO 56 Ca 0.22 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1qyq s PRO 56 Cb -0.03 -2.41 0.54 0.00 0.02 0.00 0.00 34.50 32.62 1qyq s PRO 56 CO 0.08 -0.40 1.80 -1.49 -0.33 0.00 0.00 177.00 176.66 1qyq h TRP 57 N 2.13 0.96 -0.10 6.54 4.06 -1.96 -2.38 115.95 125.22 1qyq h TRP 57 Ca -0.49 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.52 1qyq h TRP 57 Cb 1.23 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 29.10 1qyq h TRP 57 CO 0.55 0.32 0.09 -1.35 -3.56 0.00 0.00 178.44 174.49 1qyq h PRO 58 N 0.81 0.00 0.00 0.49 0.11 -1.90 -1.63 132.00 129.88 1qyq h PRO 58 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1qyq h PRO 58 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1qyq h PRO 58 CO -0.31 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.27 1qyq h THR 59 N 0.00 0.00 -0.00 -1.15 1.35 -1.81 -3.04 112.91 108.26 1qyq h THR 59 Ca 0.05 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1qyq h THR 59 Cb 0.23 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1qyq h THR 59 CO -0.00 0.00 -0.92 0.18 -0.25 0.00 0.00 175.52 174.53 1qyq n LEU 60 N -2.38 0.96 -0.16 3.87 4.77 -0.62 -4.67 117.00 118.77 1qyq n LEU 60 Ca 0.02 -0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 55.47 1qyq n LEU 60 Cb 0.28 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1qyq n LEU 60 CO 0.23 0.24 0.78 0.58 -1.33 0.00 0.00 177.39 177.89 1qyq h VAL 61 N 0.05 0.51 0.00 4.08 2.07 -1.51 0.19 116.25 121.64 1qyq h VAL 61 Ca 0.00 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1qyq h VAL 61 Cb 0.47 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1qyq h VAL 61 CO 0.00 0.01 -0.37 0.71 0.02 0.00 0.00 177.57 177.93 1qyq h THR 62 N 0.03 1.24 0.08 2.57 1.35 -1.83 -3.13 112.91 113.22 1qyq h THR 62 Ca 0.25 -1.29 -0.17 0.00 -0.55 0.00 0.00 66.41 64.65 1qyq h THR 62 Cb 0.39 1.70 0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1qyq h THR 62 CO -0.50 0.37 -0.70 0.74 -0.25 0.00 0.00 175.52 175.17 1qyq h THR 63 N 0.00 1.49 0.00 6.82 2.02 -1.68 -3.46 112.91 118.10 1qyq h THR 63 Ca -0.00 -2.34 -0.32 0.00 0.77 0.00 0.00 66.41 64.52 1qyq h THR 63 Cb 0.67 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.02 1qyq h THR 63 CO 0.05 0.67 1.46 0.18 0.37 0.00 0.00 175.52 178.25 1qyq n LEU 64 N -4.18 5.19 0.00 2.58 4.77 -0.01 -5.03 117.00 120.32 1qyq n LEU 64 Ca -0.12 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 1qyq n LEU 64 Cb 0.75 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1qyq n LEU 64 CO 0.47 1.18 0.00 1.33 -1.33 0.00 0.00 177.39 179.04 1qyq n VAL 68 N 3.28 0.00 0.64 4.08 0.24 -1.26 -4.98 118.33 120.32 1qyq n VAL 68 Ca 0.45 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.80 1qyq n VAL 68 Cb 0.43 0.00 0.27 0.00 -1.47 0.00 0.00 33.84 33.07 1qyq n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qyq n GLN 69 N 0.00 0.32 0.00 7.34 6.02 -1.26 -1.95 117.38 127.85 1qyq n GLN 69 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1qyq n GLN 69 Cb 0.00 -1.45 0.53 0.00 1.02 0.00 0.00 30.24 30.34 1qyq n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qyq n PHE 71 N -1.40 0.84 -2.19 0.00 3.72 -0.82 -4.69 117.46 112.91 1qyq n PHE 71 Ca 0.08 -0.42 -0.39 0.00 -0.05 0.00 0.00 57.45 56.68 1qyq n PHE 71 Cb 0.23 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 1qyq n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1qyq s SER 72 N -1.05 6.38 -0.43 4.37 0.01 -1.02 -4.11 113.70 117.85 1qyq s SER 72 Ca 0.43 2.46 -0.23 0.00 1.31 0.00 0.00 55.95 59.92 1qyq s SER 72 Cb 0.23 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1qyq s SER 72 CO 0.30 -0.78 0.76 -0.60 0.41 0.00 0.00 173.24 173.33 1qyq s ARG 73 N -2.33 3.45 -0.26 12.44 3.52 -0.39 -4.79 118.95 130.59 1qyq s ARG 73 Ca 0.58 -0.08 -0.13 0.00 -0.13 0.00 0.00 55.73 55.97 1qyq s ARG 73 Cb -0.33 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1qyq s ARG 73 CO 0.42 -1.05 0.29 0.71 -0.81 0.00 0.00 175.30 174.86 1qyq s TYR 74 N 3.18 3.27 0.72 5.12 1.51 -1.26 -0.73 117.35 129.16 1qyq s TYR 74 Ca 0.29 0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 56.52 1qyq s TYR 74 Cb -0.13 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1qyq s TYR 74 CO 0.21 -0.13 1.24 -2.14 -1.11 0.00 0.00 175.55 173.63 1qyq s PRO 75 N 1.70 2.13 0.30 -1.71 0.02 -1.26 -4.70 135.00 131.48 1qyq s PRO 75 Ca 0.12 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.08 1qyq s PRO 75 Cb -0.15 -1.82 0.75 0.00 0.02 0.00 0.00 34.50 33.30 1qyq s PRO 75 CO 0.09 -1.87 1.73 0.22 -0.33 0.00 0.00 177.00 176.83 1qyq h ASP 76 N -0.15 0.53 0.46 2.53 3.58 -2.00 0.67 116.42 122.03 1qyq h ASP 76 Ca -0.49 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1qyq h ASP 76 Cb 1.31 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1qyq h ASP 76 CO 0.50 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.96 1qyq n HIS 77 N -4.93 0.00 0.04 0.28 1.44 -1.26 -2.85 115.22 107.93 1qyq n HIS 77 Ca 0.23 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.95 1qyq n HIS 77 Cb 0.64 -0.35 0.01 0.00 0.12 0.00 0.00 29.99 30.41 1qyq n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1qyq n MET 78 N -1.35 0.32 0.32 -1.40 2.81 0.16 -4.79 117.12 113.19 1qyq n MET 78 Ca 0.08 -0.88 0.20 0.00 -1.81 0.00 0.00 57.70 55.29 1qyq n MET 78 Cb 0.18 -1.03 1.12 0.00 -0.71 0.00 0.00 33.22 32.77 1qyq n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1qyq h LYS 79 N 0.30 0.00 0.00 0.03 1.57 -1.23 -0.95 116.57 116.29 1qyq h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qyq h LYS 79 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1qyq h LYS 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1qyq n GLN 80 N -3.28 0.53 -0.14 3.15 0.00 -1.26 -2.91 117.38 113.47 1qyq n GLN 80 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 57.00 57.07 1qyq n GLN 80 Cb 0.10 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.00 1qyq n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1qyq n HIS 81 N -1.21 0.37 -2.83 2.61 8.25 -0.36 -4.64 115.22 117.41 1qyq n HIS 81 Ca 0.16 -0.27 -0.43 0.00 -0.26 0.00 0.00 57.72 56.92 1qyq n HIS 81 Cb 0.19 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1qyq n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qyq s ASP 82 N -1.19 6.62 0.03 0.41 -1.08 -1.15 -4.50 116.67 115.83 1qyq s ASP 82 Ca 0.28 -1.95 -0.25 0.00 -0.52 0.00 0.00 52.55 50.11 1qyq s ASP 82 Cb 0.16 -2.45 -0.18 0.00 -1.46 0.00 0.00 42.92 39.00 1qyq s ASP 82 CO 0.22 -1.16 1.50 0.15 0.52 0.00 0.00 175.17 176.40 1qyq h PHE 83 N 8.97 -0.04 -0.67 -5.34 3.57 -1.91 -3.13 116.94 118.40 1qyq h PHE 83 Ca 0.18 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.80 1qyq h PHE 83 Cb 1.01 0.01 -0.12 0.00 2.79 0.00 0.00 35.95 39.64 1qyq h PHE 83 CO 1.20 0.21 -0.31 0.74 -2.23 0.00 0.00 178.31 177.92 1qyq h PHE 84 N -0.28 -0.83 -0.05 0.41 0.04 -1.89 -2.32 116.94 112.02 1qyq h PHE 84 Ca -0.00 0.07 -0.18 0.00 2.80 0.00 0.00 57.97 60.67 1qyq h PHE 84 Cb 0.26 0.46 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1qyq h PHE 84 CO 0.01 -0.37 -0.73 0.87 -0.60 0.00 0.00 178.31 177.48 1qyq h LYS 85 N -0.11 0.29 0.00 1.51 1.57 -1.84 -3.24 116.57 114.75 1qyq h LYS 85 Ca 0.27 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1qyq h LYS 85 Cb 0.55 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1qyq h LYS 85 CO -0.73 0.90 -0.06 0.66 -0.57 0.00 0.00 179.45 179.64 1qyq h SER 86 N 0.20 0.00 1.10 0.86 4.64 -1.37 -1.87 113.55 117.11 1qyq h SER 86 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1qyq h SER 86 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1qyq h SER 86 CO 0.12 0.06 -0.12 0.00 -0.87 0.00 0.00 176.83 176.02 1qyq n ALA 87 N -2.19 2.50 -1.89 5.18 0.00 -0.98 -4.56 120.51 118.57 1qyq n ALA 87 Ca -0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 1qyq n ALA 87 Cb 0.21 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 1qyq n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1qyq s MET 88 N -3.05 4.10 0.46 0.00 1.00 -0.70 -0.20 119.30 120.90 1qyq s MET 88 Ca 0.12 0.98 0.26 0.00 0.00 0.00 0.00 55.69 57.05 1qyq s MET 88 Cb 0.16 -2.21 0.82 0.00 0.00 0.00 0.00 34.83 33.59 1qyq s MET 88 CO 0.59 -0.07 1.78 -1.00 0.00 0.00 0.00 175.02 176.32 1qyq h PRO 89 N 1.65 0.00 -0.81 2.03 0.13 -1.90 -3.37 132.00 129.73 1qyq h PRO 89 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1qyq h PRO 89 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1qyq h PRO 89 CO 0.62 0.11 0.53 0.93 -0.23 0.00 0.00 178.00 179.96 1qyq h GLU 90 N 0.00 0.82 0.00 0.86 3.07 -1.91 -2.46 114.58 114.96 1qyq h GLU 90 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1qyq h GLU 90 Cb 0.81 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1qyq h GLU 90 CO 0.01 0.54 0.00 0.41 -1.40 0.00 0.00 179.01 178.58 1qyq n GLY 91 N -1.43 -1.94 3.10 -3.84 0.00 0.72 -4.62 105.19 97.18 1qyq n GLY 91 Ca 0.12 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 1qyq n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qyq s TYR 92 N 0.00 0.54 -0.24 1.61 -0.85 -0.24 -0.92 117.35 117.26 1qyq s TYR 92 Ca 0.00 -1.08 -0.09 0.00 -0.52 0.00 0.00 57.07 55.38 1qyq s TYR 92 Cb 0.00 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 1qyq s TYR 92 CO 0.00 -0.39 0.12 0.08 -1.52 0.00 0.00 175.55 173.83 1qyq s VAL 93 N -3.93 4.91 -0.25 -3.49 1.01 0.97 -1.07 120.40 118.55 1qyq s VAL 93 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1qyq s VAL 93 Cb 0.08 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1qyq s VAL 93 CO -0.09 0.35 0.01 -1.58 0.00 0.00 0.00 175.10 173.79 1qyq s GLN 94 N 1.18 3.22 -0.06 2.72 0.74 0.81 -1.36 119.66 126.91 1qyq s GLN 94 Ca 0.06 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.75 1qyq s GLN 94 Cb -0.14 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 1qyq s GLN 94 CO 0.05 -0.31 -0.14 -1.21 -0.55 0.00 0.00 175.29 173.13 1qyq s GLU 95 N 1.47 2.62 0.03 1.67 2.02 0.13 -0.23 118.70 126.43 1qyq s GLU 95 Ca 0.04 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.34 1qyq s GLU 95 Cb -0.16 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 1qyq s GLU 95 CO -0.01 0.57 -0.03 1.03 0.02 0.00 0.00 175.26 176.84 1qyq s ARG 96 N -0.59 0.41 -0.21 1.61 0.52 -0.47 -0.49 118.95 119.72 1qyq s ARG 96 Ca 0.09 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1qyq s ARG 96 Cb -0.11 0.12 0.05 0.00 0.52 0.00 0.00 34.95 35.53 1qyq s ARG 96 CO 0.01 -0.06 -0.06 0.99 0.02 0.00 0.00 175.30 176.20 1qyq s THR 97 N -2.18 1.39 -0.39 0.02 2.01 -0.51 -0.91 115.64 115.07 1qyq s THR 97 Ca -0.09 -1.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.82 1qyq s THR 97 Cb -0.05 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.91 1qyq s THR 97 CO -0.04 0.00 0.21 -0.63 -0.69 0.00 0.00 174.62 173.48 1qyq s ILE 98 N 1.48 4.18 -0.37 1.82 1.01 0.51 -1.50 121.20 128.33 1qyq s ILE 98 Ca -0.03 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 1qyq s ILE 98 Cb -0.17 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1qyq s ILE 98 CO -0.07 -0.38 0.39 -0.44 0.00 0.00 0.00 174.94 174.43 1qyq s SER 99 N 1.84 6.18 -0.22 3.58 0.01 0.81 -0.81 113.70 125.09 1qyq s SER 99 Ca 0.02 -0.40 -0.22 0.00 1.31 0.00 0.00 55.95 56.66 1qyq s SER 99 Cb -0.21 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1qyq s SER 99 CO 0.03 -0.43 0.68 -0.36 0.41 0.00 0.00 173.24 173.57 1qyq s PHE 100 N 2.05 3.34 0.16 2.43 0.08 -0.56 -0.35 117.98 125.12 1qyq s PHE 100 Ca 0.12 0.96 -0.33 0.00 0.12 0.00 0.00 56.93 57.79 1qyq s PHE 100 Cb -0.17 -2.88 -0.13 0.00 -0.57 0.00 0.00 43.02 39.28 1qyq s PHE 100 CO 0.12 -0.27 1.66 1.17 -0.10 0.00 0.00 175.22 177.80 1qyq n LYS 101 N 5.45 2.39 -1.88 0.44 4.81 -0.60 -1.59 118.16 127.18 1qyq n LYS 101 Ca 0.01 0.86 -0.20 0.00 -0.87 0.00 0.00 58.31 58.11 1qyq n LYS 101 Cb 0.49 -2.67 -0.06 0.00 0.02 0.00 0.00 35.03 32.81 1qyq n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1qyq n ASP 102 N 3.96 -5.55 -0.28 3.14 8.00 -1.26 -4.82 116.55 119.75 1qyq n ASP 102 Ca 0.17 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1qyq n ASP 102 Cb 0.31 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 1qyq n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qyq n ASP 103 N -1.47 0.00 -2.68 -2.24 -0.08 -0.62 -4.94 116.55 104.52 1qyq n ASP 103 Ca -0.22 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 52.78 1qyq n ASP 103 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1qyq n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qyq n GLY 104 N 0.00 -1.31 3.05 0.27 0.00 -1.18 -4.58 105.19 101.43 1qyq n GLY 104 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1qyq n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qyq s ASN 105 N -1.14 0.12 -0.10 1.61 2.20 -0.75 -1.50 114.94 115.38 1qyq s ASN 105 Ca 0.00 -0.33 -0.02 0.00 -0.94 0.00 0.00 52.86 51.56 1qyq s ASN 105 Cb 0.00 0.16 -0.03 0.00 -2.00 0.00 0.00 41.25 39.37 1qyq s ASN 105 CO 0.00 -0.33 0.01 -0.31 -2.94 0.00 0.00 177.10 173.53 1qyq s TYR 106 N -1.38 3.19 -0.20 1.54 2.02 0.01 -1.90 117.35 120.63 1qyq s TYR 106 Ca -0.15 0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.75 1qyq s TYR 106 Cb -0.09 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1qyq s TYR 106 CO 0.00 0.45 -0.14 0.15 -1.57 0.00 0.00 175.55 174.45 1qyq s LYS 107 N -0.78 2.37 0.12 -0.62 1.02 0.59 -0.37 119.74 122.07 1qyq s LYS 107 Ca 0.12 -0.90 0.11 0.00 0.02 0.00 0.00 55.97 55.32 1qyq s LYS 107 Cb -0.12 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 1qyq s LYS 107 CO 0.02 -0.37 -0.26 0.95 -0.92 0.00 0.00 175.35 174.77 1qyq s THR 108 N 1.32 2.31 -0.04 2.17 -4.23 -0.08 -0.96 115.64 116.12 1qyq s THR 108 Ca -0.00 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1qyq s THR 108 Cb -0.16 -2.02 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1qyq s THR 108 CO -0.09 0.11 0.01 -0.60 -0.54 0.00 0.00 174.62 173.51 1qyq s ARG 109 N -2.00 0.32 0.03 3.99 3.52 -0.62 -1.37 118.95 122.82 1qyq s ARG 109 Ca 0.14 0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.91 1qyq s ARG 109 Cb -0.10 -0.62 -0.02 0.00 -1.56 0.00 0.00 34.95 32.66 1qyq s ARG 109 CO 0.06 -0.21 -0.11 0.00 -0.81 0.00 0.00 175.30 174.23 1qyq s ALA 110 N 1.46 0.94 -0.27 6.12 0.00 0.68 -1.15 121.76 129.54 1qyq s ALA 110 Ca -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1qyq s ALA 110 Cb -0.13 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1qyq s ALA 110 CO -0.03 0.17 0.00 -1.21 0.00 0.00 0.00 175.76 174.69 1qyq s GLU 111 N -0.94 2.90 -0.26 0.00 2.02 0.09 -0.13 118.70 122.38 1qyq s GLU 111 Ca 0.00 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.00 1qyq s GLU 111 Cb -0.07 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 31.02 1qyq s GLU 111 CO 0.01 -0.44 -0.02 0.08 0.02 0.00 0.00 175.26 174.91 1qyq s VAL 112 N 1.39 3.21 0.28 2.63 1.01 -0.23 -1.36 120.40 127.33 1qyq s VAL 112 Ca 0.01 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 1qyq s VAL 112 Cb -0.17 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1qyq s VAL 112 CO -0.01 0.19 0.72 -1.59 0.00 0.00 0.00 175.10 174.41 1qyq s LYS 113 N 1.39 1.81 0.05 2.72 -2.85 -0.70 -1.08 119.74 121.08 1qyq s LYS 113 Ca 0.01 -1.01 -0.20 0.00 -1.00 0.00 0.00 55.97 53.77 1qyq s LYS 113 Cb -0.16 0.61 -0.06 0.00 -2.06 0.00 0.00 37.83 36.15 1qyq s LYS 113 CO -0.03 -0.83 0.60 -0.06 0.10 0.00 0.00 175.35 175.14 1qyq s PHE 114 N -3.85 3.77 -0.45 1.78 0.08 -0.93 -0.34 117.98 118.04 1qyq s PHE 114 Ca 0.11 1.28 0.02 0.00 0.12 0.00 0.00 56.93 58.47 1qyq s PHE 114 Cb -0.06 -2.57 0.13 0.00 -0.57 0.00 0.00 43.02 39.95 1qyq s PHE 114 CO 0.07 0.49 0.23 -1.21 -0.10 0.00 0.00 175.22 174.70 1qyq s GLU 115 N -0.74 1.42 6.60 0.44 0.41 0.03 -4.93 118.70 121.93 1qyq s GLU 115 Ca 0.31 -2.11 0.00 0.00 -0.41 0.00 0.00 54.97 52.76 1qyq s GLU 115 Cb -0.19 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 1qyq s GLU 115 CO 0.19 -1.14 0.00 0.41 -0.49 0.00 0.00 175.26 174.23 1qyq n GLY 116 N 3.51 1.04 1.00 -1.39 0.00 -1.26 -2.59 105.19 105.48 1qyq n GLY 116 Ca 0.07 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1qyq n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qyq n ASP 117 N 7.25 2.97 -4.68 1.61 8.00 -1.26 -4.91 116.55 125.53 1qyq n ASP 117 Ca 0.00 -1.93 -0.35 0.00 0.71 0.00 0.00 54.79 53.23 1qyq n ASP 117 Cb 0.00 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.79 1qyq n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qyq s THR 118 N -1.57 4.83 -0.22 -3.53 2.01 -1.07 -4.25 115.64 111.85 1qyq s THR 118 Ca 0.37 -0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.13 1qyq s THR 118 Cb 0.21 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1qyq s THR 118 CO 0.30 0.50 0.67 -0.22 -0.69 0.00 0.00 174.62 175.18 1qyq s LEU 119 N -0.01 4.12 -0.06 4.42 1.98 -0.20 -0.79 118.68 128.14 1qyq s LEU 119 Ca 0.06 0.84 0.02 0.00 -2.89 0.00 0.00 54.13 52.16 1qyq s LEU 119 Cb -0.12 -2.94 -0.03 0.00 0.66 0.00 0.00 46.19 43.76 1qyq s LEU 119 CO 0.01 -0.34 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.36 1qyq s VAL 120 N 2.19 3.58 -0.34 1.68 1.01 0.54 -1.20 120.40 127.87 1qyq s VAL 120 Ca 0.29 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1qyq s VAL 120 Cb -0.16 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 33.86 1qyq s VAL 120 CO 0.10 0.58 0.09 0.21 0.00 0.00 0.00 175.10 176.07 1qyq s ASN 121 N -0.86 4.33 -0.30 3.32 2.47 0.21 -1.71 114.94 122.40 1qyq s ASN 121 Ca 0.13 -1.95 -0.13 0.00 0.42 0.00 0.00 52.86 51.33 1qyq s ASN 121 Cb -0.11 -1.22 -0.04 0.00 -1.45 0.00 0.00 41.25 38.44 1qyq s ASN 121 CO 0.02 -0.39 0.26 -0.13 -3.72 0.00 0.00 177.10 173.14 1qyq s ARG 122 N 1.19 3.83 0.06 0.43 0.52 -0.47 -1.05 118.95 123.47 1qyq s ARG 122 Ca 0.11 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.08 1qyq s ARG 122 Cb -0.19 -3.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 1qyq s ARG 122 CO -0.16 -0.30 -0.21 0.42 0.02 0.00 0.00 175.30 175.07 1qyq s ILE 123 N 1.86 1.69 -0.14 1.52 1.01 0.10 -0.73 121.20 126.52 1qyq s ILE 123 Ca 0.09 -1.33 0.01 0.00 0.00 0.00 0.00 60.65 59.43 1qyq s ILE 123 Cb -0.16 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1qyq s ILE 123 CO 0.11 0.11 -0.15 -1.61 0.00 0.00 0.00 174.94 173.40 1qyq s GLU 124 N -1.44 2.35 -0.07 2.79 2.02 -0.30 -1.33 118.70 122.72 1qyq s GLU 124 Ca 0.07 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.51 1qyq s GLU 124 Cb -0.09 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1qyq s GLU 124 CO 0.03 -0.17 -0.19 -1.17 0.02 0.00 0.00 175.26 173.78 1qyq s LEU 125 N 1.28 2.43 -0.16 1.80 0.20 0.05 -1.59 118.68 122.70 1qyq s LEU 125 Ca 0.01 -0.37 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 1qyq s LEU 125 Cb -0.14 -1.48 0.04 0.00 -0.43 0.00 0.00 46.19 44.18 1qyq s LEU 125 CO -0.07 0.26 -0.03 -0.75 -0.29 0.00 0.00 176.35 175.47 1qyq s LYS 126 N -0.25 1.19 -0.12 1.98 2.47 -0.14 -1.40 119.74 123.48 1qyq s LYS 126 Ca 0.00 -0.42 0.01 0.00 -1.56 0.00 0.00 55.97 53.99 1qyq s LYS 126 Cb -0.13 -1.89 -0.01 0.00 -1.46 0.00 0.00 37.83 34.33 1qyq s LYS 126 CO 0.03 -0.45 -0.14 0.20 0.16 0.00 0.00 175.35 175.14 1qyq s GLY 127 N 1.71 1.52 0.23 5.54 0.00 0.20 -0.30 107.32 116.21 1qyq s GLY 127 Ca 0.01 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.84 1qyq s GLY 127 CO -0.07 -0.24 0.06 -0.26 0.00 0.00 0.00 173.10 172.58 1qyq s ILE 128 N 0.29 0.64 -2.02 0.90 -4.36 -0.80 -0.85 121.20 115.00 1qyq s ILE 128 Ca -0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1qyq s ILE 128 Cb -0.16 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1qyq s ILE 128 CO 0.06 -0.19 0.00 0.47 0.24 0.00 0.00 174.94 175.52 1qyq n ASP 129 N -0.39 -5.54 -4.78 4.36 8.00 -1.26 -1.80 116.55 115.15 1qyq n ASP 129 Ca -0.03 0.34 -0.37 0.00 0.71 0.00 0.00 54.79 55.44 1qyq n ASP 129 Cb 0.65 -4.74 -0.06 0.00 -0.02 0.00 0.00 41.12 36.95 1qyq n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qyq s PHE 130 N -2.83 3.72 -0.02 1.24 0.40 -1.26 -3.11 117.98 116.12 1qyq s PHE 130 Ca 0.00 1.80 -0.25 0.00 -0.60 0.00 0.00 56.93 57.87 1qyq s PHE 130 Cb 0.00 -2.95 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 1qyq s PHE 130 CO 0.00 0.21 0.79 0.15 0.70 0.00 0.00 175.22 177.06 1qyq s LYS 131 N -1.92 4.49 0.54 0.44 1.02 -1.26 -4.91 119.74 118.14 1qyq s LYS 131 Ca 0.49 1.06 0.20 0.00 0.02 0.00 0.00 55.97 57.74 1qyq s LYS 131 Cb -0.20 -3.43 1.40 0.00 -0.52 0.00 0.00 37.83 35.07 1qyq s LYS 131 CO 0.26 0.09 2.16 0.93 -0.92 0.00 0.00 175.35 177.86 1qyq h GLU 132 N 6.51 0.00 -0.28 1.68 5.08 -1.95 -1.72 114.58 123.89 1qyq h GLU 132 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1qyq h GLU 132 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1qyq h GLU 132 CO 0.74 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.50 1qyq n ASP 133 N -4.38 3.70 -3.45 1.42 8.00 -1.26 -3.82 116.55 116.76 1qyq n ASP 133 Ca -0.02 -2.79 -0.23 0.00 0.71 0.00 0.00 54.79 52.46 1qyq n ASP 133 Cb 0.13 -0.48 0.16 0.00 -0.02 0.00 0.00 41.12 40.91 1qyq n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qyq n GLY 134 N -0.27 -1.59 0.24 0.44 0.00 -0.65 -4.77 105.19 98.59 1qyq n GLY 134 Ca 0.19 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.65 1qyq n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qyq h ASN 135 N -1.48 0.00 0.00 1.61 2.35 -1.94 -1.81 115.58 114.31 1qyq h ASN 135 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1qyq h ASN 135 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1qyq h ASN 135 CO 0.23 0.18 -0.15 0.40 -1.65 0.00 0.00 177.43 176.44 1qyq h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -1.07 117.51 122.35 1qyq h ILE 136 Ca -0.00 -0.48 0.00 0.00 -0.12 0.00 0.00 64.86 64.26 1qyq h ILE 136 Cb 0.61 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.40 1qyq h ILE 136 CO 0.02 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.42 1qyq h LEU 137 N -0.48 0.00 -0.93 1.44 3.38 -1.75 -2.16 115.31 114.81 1qyq h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qyq h LEU 137 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1qyq h LEU 137 CO 0.00 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 179.07 1qyq n GLY 138 N -0.15 -0.06 3.68 0.83 0.00 -0.68 -4.92 105.19 103.90 1qyq n GLY 138 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1qyq n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qyq n HIS 139 N 0.07 -1.93 -0.35 1.61 8.25 -0.81 -4.93 115.22 117.14 1qyq n HIS 139 Ca 0.17 0.66 0.10 0.00 -0.26 0.00 0.00 57.72 58.39 1qyq n HIS 139 Cb 0.37 -3.85 0.29 0.00 1.12 0.00 0.00 29.99 27.92 1qyq n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qyq n LYS 140 N -4.14 2.83 -3.72 -0.41 5.02 -0.41 -4.97 118.16 112.37 1qyq n LYS 140 Ca -0.19 -2.54 -0.37 0.00 -2.02 0.00 0.00 58.31 53.19 1qyq n LYS 140 Cb 0.64 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1qyq n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qyq s LEU 141 N -1.07 4.38 0.46 -0.35 1.43 -1.25 -0.68 118.68 121.61 1qyq s LEU 141 Ca 0.43 0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 53.91 1qyq s LEU 141 Cb 0.23 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1qyq s LEU 141 CO 0.29 0.33 1.13 -1.61 0.23 0.00 0.00 176.35 176.72 1qyq s GLU 142 N -0.76 3.81 -1.29 1.70 2.02 -0.12 -4.87 118.70 119.20 1qyq s GLU 142 Ca 0.17 1.68 -0.14 0.00 0.02 0.00 0.00 54.97 56.70 1qyq s GLU 142 Cb -0.13 -2.38 0.12 0.00 0.10 0.00 0.00 34.13 31.83 1qyq s GLU 142 CO 0.06 -0.48 1.72 0.98 0.02 0.00 0.00 175.26 177.56 1qyq n TYR 143 N -0.50 4.32 -3.83 1.61 9.36 -1.26 -4.79 117.16 122.08 1qyq n TYR 143 Ca 0.07 -3.04 -0.08 0.00 3.32 0.00 0.00 57.90 58.17 1qyq n TYR 143 Cb 0.49 -2.34 0.01 0.00 -0.63 0.00 0.00 39.34 36.87 1qyq n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1qyq s ASN 144 N 2.97 -0.09 -0.10 2.98 2.20 -1.26 -4.91 114.94 116.73 1qyq s ASN 144 Ca 0.46 -0.96 -0.10 0.00 -0.94 0.00 0.00 52.86 51.33 1qyq s ASN 144 Cb 0.04 0.81 0.03 0.00 -2.00 0.00 0.00 41.25 40.12 1qyq s ASN 144 CO 0.01 -1.57 0.28 -0.47 -2.94 0.00 0.00 177.10 172.41 1qyq s TYR 145 N -2.88 -0.29 0.31 1.54 6.14 -1.26 -4.87 117.35 116.03 1qyq s TYR 145 Ca 0.14 0.70 0.02 0.00 0.64 0.00 0.00 57.07 58.57 1qyq s TYR 145 Cb -0.05 0.10 -0.03 0.00 0.42 0.00 0.00 41.96 42.39 1qyq s TYR 145 CO 0.10 -0.16 0.48 -0.80 0.64 0.00 0.00 175.55 175.81 1qyq s ASN 146 N 0.04 6.31 0.38 4.32 0.01 -1.26 -4.74 114.94 120.00 1qyq s ASN 146 Ca -0.01 0.33 -0.24 0.00 -0.71 0.00 0.00 52.86 52.23 1qyq s ASN 146 Cb -0.02 -1.98 -0.10 0.00 0.41 0.00 0.00 41.25 39.56 1qyq s ASN 146 CO 0.01 -0.22 0.99 -0.44 -1.51 0.00 0.00 177.10 175.93 1qyq s SER 147 N -3.99 6.99 0.20 -1.22 0.01 -1.26 -4.59 113.70 109.84 1qyq s SER 147 Ca 0.38 1.90 -0.10 0.00 1.31 0.00 0.00 55.95 59.44 1qyq s SER 147 Cb -0.09 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1qyq s SER 147 CO 0.34 -0.32 0.35 -1.38 0.41 0.00 0.00 173.24 172.63 1qyq s HIS 148 N -1.75 0.43 -0.12 2.43 -3.43 -0.75 -4.97 115.29 107.13 1qyq s HIS 148 Ca 0.56 -0.78 0.03 0.00 -0.80 0.00 0.00 55.06 54.07 1qyq s HIS 148 Cb -0.18 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 1qyq s HIS 148 CO 0.23 -0.82 -0.21 -0.80 -2.00 0.00 0.00 174.74 171.14 1qyq s ASN 149 N -3.00 3.28 -0.47 7.38 0.01 -1.26 -0.67 114.94 120.21 1qyq s ASN 149 Ca 0.21 -0.54 -0.16 0.00 -0.71 0.00 0.00 52.86 51.66 1qyq s ASN 149 Cb 0.02 -1.46 0.06 0.00 0.41 0.00 0.00 41.25 40.28 1qyq s ASN 149 CO 0.04 0.13 0.42 -0.69 -1.51 0.00 0.00 177.10 175.49 1qyq s VAL 150 N 0.55 5.18 -0.37 1.60 1.01 -0.25 -4.65 120.40 123.47 1qyq s VAL 150 Ca -0.13 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.68 1qyq s VAL 150 Cb -0.17 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1qyq s VAL 150 CO 0.04 -0.57 0.99 -0.31 0.00 0.00 0.00 175.10 175.25 1qyq s TYR 151 N 1.81 3.06 -0.03 5.22 2.02 -0.81 -1.21 117.35 127.41 1qyq s TYR 151 Ca 0.06 0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 57.61 1qyq s TYR 151 Cb -0.23 -3.77 -0.04 0.00 -0.40 0.00 0.00 41.96 37.53 1qyq s TYR 151 CO 0.08 -0.87 0.04 0.42 -1.57 0.00 0.00 175.55 173.65 1qyq s ILE 152 N 3.65 4.50 0.02 2.71 1.01 0.24 -1.14 121.20 132.19 1qyq s ILE 152 Ca 0.41 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1qyq s ILE 152 Cb -0.11 -3.00 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1qyq s ILE 152 CO 0.20 0.43 0.08 0.28 0.00 0.00 0.00 174.94 175.92 1qyq s THR 153 N -1.08 0.11 0.42 2.92 -1.32 -0.32 -2.41 115.64 113.95 1qyq s THR 153 Ca 0.19 -0.91 -0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1qyq s THR 153 Cb -0.12 -0.58 -0.09 0.00 -1.51 0.00 0.00 72.50 70.20 1qyq s THR 153 CO 0.10 -0.50 1.05 0.00 -2.21 0.00 0.00 174.62 173.05 1qyq s ALA 154 N -1.89 3.04 -0.55 11.08 0.00 -1.25 -0.93 121.76 131.26 1qyq s ALA 154 Ca -0.11 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1qyq s ALA 154 Cb -0.06 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 19.95 1qyq s ALA 154 CO -0.01 -0.24 0.36 0.34 0.00 0.00 0.00 175.76 176.21 1qyq s ASP 155 N -1.66 3.75 0.59 0.00 2.15 -0.10 -4.71 116.67 116.69 1qyq s ASP 155 Ca 0.60 -3.24 0.35 0.00 0.43 0.00 0.00 52.55 50.69 1qyq s ASP 155 Cb -0.21 -1.22 1.81 0.00 -0.30 0.00 0.00 42.92 43.00 1qyq s ASP 155 CO 0.26 -0.17 2.17 0.11 -0.17 0.00 0.00 175.17 177.37 1qyq h LYS 156 N 5.96 0.00 -0.08 4.34 1.57 -1.96 -1.20 116.57 125.21 1qyq h LYS 156 Ca 0.10 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1qyq h LYS 156 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1qyq h LYS 156 CO 0.58 0.04 -0.62 1.96 -0.57 0.00 0.00 179.45 180.83 1qyq h GLN 157 N 0.00 0.30 -0.28 3.15 4.20 -1.93 -3.19 115.11 117.36 1qyq h GLN 157 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1qyq h GLN 157 Cb 0.24 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1qyq h GLN 157 CO 0.01 0.83 0.00 1.63 -0.67 0.00 0.00 178.83 180.62 1qyq n LYS 158 N -3.87 2.09 -2.85 1.46 5.02 -1.08 -4.97 118.16 113.96 1qyq n LYS 158 Ca -0.03 -1.90 -0.21 0.00 -2.02 0.00 0.00 58.31 54.15 1qyq n LYS 158 Cb 0.63 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.32 1qyq n LYS 158 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qyq n ASN 159 N 0.90 -5.59 0.00 4.39 3.02 -0.80 -4.58 115.26 112.59 1qyq n ASN 159 Ca 0.13 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1qyq n ASN 159 Cb 0.45 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1qyq n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qyq n GLY 160 N -1.29 5.46 3.23 7.41 0.00 -0.52 -4.47 105.19 115.02 1qyq n GLY 160 Ca -0.14 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1qyq n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qyq s ILE 161 N 1.31 0.54 0.04 -0.61 -4.36 -0.75 -0.92 121.20 116.45 1qyq s ILE 161 Ca 0.00 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 1qyq s ILE 161 Cb 0.00 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1qyq s ILE 161 CO 0.00 -0.42 -0.16 -0.54 0.24 0.00 0.00 174.94 174.06 1qyq s LYS 162 N -3.96 1.02 0.00 0.37 1.02 -0.10 -1.10 119.74 116.99 1qyq s LYS 162 Ca 0.25 -0.82 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 1qyq s LYS 162 Cb 0.07 -1.06 -0.01 0.00 -0.52 0.00 0.00 37.83 36.31 1qyq s LYS 162 CO 0.04 0.26 0.01 0.00 -0.92 0.00 0.00 175.35 174.74 1qyq s ALA 163 N -0.88 0.00 -0.02 5.17 0.00 -0.19 -1.18 121.76 124.65 1qyq s ALA 163 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1qyq s ALA 163 Cb -0.08 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1qyq s ALA 163 CO 0.02 -0.07 -0.05 -0.80 0.00 0.00 0.00 175.76 174.86 1qyq s ASN 164 N -0.52 0.81 0.11 0.00 0.01 -0.29 0.27 114.94 115.33 1qyq s ASN 164 Ca -0.06 -0.12 -0.25 0.00 -0.71 0.00 0.00 52.86 51.72 1qyq s ASN 164 Cb -0.04 -0.25 0.08 0.00 0.41 0.00 0.00 41.25 41.45 1qyq s ASN 164 CO -0.00 0.01 0.81 0.72 -1.51 0.00 0.00 177.10 177.12 1qyq s PHE 165 N 0.39 -0.33 -0.06 2.20 -0.12 -0.94 -1.92 117.98 117.19 1qyq s PHE 165 Ca -0.05 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.99 1qyq s PHE 165 Cb -0.09 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1qyq s PHE 165 CO -0.00 -0.77 -0.22 0.15 -0.05 0.00 0.00 175.22 174.33 1qyq s LYS 166 N -3.42 2.41 -0.11 1.99 1.02 -1.26 -0.21 119.74 120.16 1qyq s LYS 166 Ca 0.06 -0.80 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 1qyq s LYS 166 Cb -0.02 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1qyq s LYS 166 CO -0.06 0.29 -0.04 0.42 -0.92 0.00 0.00 175.35 175.05 1qyq s ILE 167 N 0.02 3.95 -0.40 2.17 -1.09 -0.06 -4.83 121.20 120.96 1qyq s ILE 167 Ca -0.07 -0.36 -0.06 0.00 -2.23 0.00 0.00 60.65 57.93 1qyq s ILE 167 Cb -0.14 -2.68 0.09 0.00 -1.58 0.00 0.00 42.46 38.15 1qyq s ILE 167 CO 0.04 0.55 0.21 -0.13 -1.23 0.00 0.00 174.94 174.39 1qyq s ARG 168 N -0.31 2.32 -0.11 2.79 0.52 -1.26 -0.56 118.95 122.33 1qyq s ARG 168 Ca 0.05 -1.61 -0.20 0.00 -0.52 0.00 0.00 55.73 53.45 1qyq s ARG 168 Cb -0.12 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 1qyq s ARG 168 CO 0.02 -0.98 0.57 -1.01 0.02 0.00 0.00 175.30 173.92 1qyq s HIS 169 N 1.28 3.52 -0.01 -0.53 3.76 -0.25 -4.47 115.29 118.58 1qyq s HIS 169 Ca 0.04 1.01 -0.30 0.00 -0.15 0.00 0.00 55.06 55.66 1qyq s HIS 169 Cb -0.23 -2.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 1qyq s HIS 169 CO -0.01 0.10 1.09 -0.80 -0.85 0.00 0.00 174.74 174.26 1qyq s ASN 170 N 0.75 7.21 0.27 1.40 0.01 -1.26 -0.18 114.94 123.14 1qyq s ASN 170 Ca 0.30 1.76 -0.06 0.00 -0.71 0.00 0.00 52.86 54.14 1qyq s ASN 170 Cb -0.16 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 1qyq s ASN 170 CO 0.13 -0.41 0.55 -0.63 -1.51 0.00 0.00 177.10 175.23 1qyq s ILE 171 N 1.44 4.99 0.62 0.60 1.01 -0.45 -0.95 121.20 128.47 1qyq s ILE 171 Ca 0.54 0.20 0.33 0.00 0.00 0.00 0.00 60.65 61.71 1qyq s ILE 171 Cb -0.23 -3.69 0.37 0.00 0.01 0.00 0.00 42.46 38.91 1qyq s ILE 171 CO 0.25 -0.24 2.14 1.05 0.00 0.00 0.00 174.94 178.14 1qyq h GLU 172 N 1.96 0.00 -0.02 2.79 4.11 -1.22 -1.41 114.58 120.79 1qyq h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1qyq h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1qyq h GLU 172 CO 0.67 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.35 1qyq n ASP 173 N -3.47 1.13 0.00 3.06 5.68 -1.26 -4.90 116.55 116.78 1qyq n ASP 173 Ca -0.00 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1qyq n ASP 173 Cb 0.26 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1qyq n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qyq n GLY 174 N 1.12 0.43 1.01 6.12 0.00 -0.53 -5.08 105.19 108.26 1qyq n GLY 174 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1qyq n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qyq n SER 175 N 0.00 0.15 -4.12 1.61 2.88 -1.25 -4.83 113.62 108.06 1qyq n SER 175 Ca 0.00 -1.19 -0.26 0.00 -1.33 0.00 0.00 58.87 56.09 1qyq n SER 175 Cb 0.00 -0.23 -0.16 0.00 -0.75 0.00 0.00 64.21 63.07 1qyq n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qyq s VAL 176 N -1.34 1.40 -0.33 2.46 1.01 -1.26 -1.34 120.40 121.00 1qyq s VAL 176 Ca 0.19 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1qyq s VAL 176 Cb -0.01 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1qyq s VAL 176 CO 0.13 0.41 0.11 -1.58 0.00 0.00 0.00 175.10 174.16 1qyq s GLN 177 N 0.14 2.71 0.24 2.72 2.00 0.75 -4.92 119.66 123.30 1qyq s GLN 177 Ca -0.06 -1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 51.88 1qyq s GLN 177 Cb -0.12 -3.46 -0.09 0.00 0.80 0.00 0.00 33.01 30.14 1qyq s GLN 177 CO 0.03 -0.63 0.96 -0.51 -0.50 0.00 0.00 175.29 174.64 1qyq s LEU 178 N 1.43 4.64 -0.33 3.68 1.43 -1.26 -1.09 118.68 127.17 1qyq s LEU 178 Ca -0.01 1.99 -0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1qyq s LEU 178 Cb -0.19 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.53 1qyq s LEU 178 CO 0.03 0.12 0.13 0.00 0.23 0.00 0.00 176.35 176.85 1qyq s ALA 179 N -1.16 1.61 -0.16 4.21 0.00 0.27 -1.56 121.76 124.97 1qyq s ALA 179 Ca 0.42 -1.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 1qyq s ALA 179 Cb -0.27 -1.67 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 1qyq s ALA 179 CO 0.33 -1.76 1.08 -0.51 0.00 0.00 0.00 175.76 174.91 1qyq s ASP 180 N 1.37 7.12 -0.17 0.00 1.11 0.53 -0.89 116.67 125.74 1qyq s ASP 180 Ca 0.12 1.53 -0.05 0.00 0.18 0.00 0.00 52.55 54.32 1qyq s ASP 180 Cb -0.19 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 1qyq s ASP 180 CO -0.19 -0.60 0.00 -1.00 1.18 0.00 0.00 175.17 174.56 1qyq s HIS 181 N 2.74 3.10 -0.16 4.23 3.76 0.71 -0.13 115.29 129.54 1qyq s HIS 181 Ca 0.48 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.21 1qyq s HIS 181 Cb -0.18 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.51 1qyq s HIS 181 CO 0.13 -0.00 -0.18 -0.47 -0.85 0.00 0.00 174.74 173.37 1qyq s TYR 182 N 0.46 2.51 0.09 1.40 5.04 -0.56 -2.20 117.35 124.08 1qyq s TYR 182 Ca -0.01 -1.40 0.10 0.00 -2.44 0.00 0.00 57.07 53.32 1qyq s TYR 182 Cb -0.14 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.38 1qyq s TYR 182 CO 0.02 -0.70 -0.25 -1.14 -1.34 0.00 0.00 175.55 172.14 1qyq s GLN 183 N 1.21 1.49 -0.02 4.97 0.74 0.14 -1.43 119.66 126.76 1qyq s GLN 183 Ca 0.01 -1.19 -0.00 0.00 0.05 0.00 0.00 55.36 54.23 1qyq s GLN 183 Cb -0.14 -1.80 0.03 0.00 1.10 0.00 0.00 33.01 32.20 1qyq s GLN 183 CO -0.09 0.44 0.04 -1.14 -0.55 0.00 0.00 175.29 173.99 1qyq s GLN 184 N -1.66 -0.03 -0.06 1.67 2.00 0.36 -1.03 119.66 120.91 1qyq s GLN 184 Ca 0.11 0.23 0.04 0.00 -2.00 0.00 0.00 55.36 53.74 1qyq s GLN 184 Cb -0.10 -0.32 -0.00 0.00 0.80 0.00 0.00 33.01 33.39 1qyq s GLN 184 CO 0.04 -0.20 -0.19 -0.80 -0.50 0.00 0.00 175.29 173.64 1qyq s ASN 185 N 1.32 2.43 -0.03 6.67 -0.87 -0.26 0.22 114.94 124.42 1qyq s ASN 185 Ca -0.06 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 1qyq s ASN 185 Cb -0.13 -0.82 0.01 0.00 -0.02 0.00 0.00 41.25 40.29 1qyq s ASN 185 CO -0.03 0.15 -0.04 -0.89 -2.57 0.00 0.00 177.10 173.72 1qyq s THR 186 N 0.16 0.44 0.46 1.60 2.01 -0.47 -1.81 115.64 118.03 1qyq s THR 186 Ca -0.08 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 1qyq s THR 186 Cb -0.14 -0.44 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1qyq s THR 186 CO 0.04 0.17 1.20 -2.16 -0.69 0.00 0.00 174.62 173.19 1qyq s PRO 187 N 0.53 3.72 -0.03 4.92 0.04 -1.26 -0.02 135.00 142.89 1qyq s PRO 187 Ca -0.06 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 1qyq s PRO 187 Cb -0.10 -2.45 -0.32 0.00 0.04 0.00 0.00 34.50 31.67 1qyq s PRO 187 CO -0.00 -0.61 0.83 0.82 0.04 0.00 0.00 177.00 178.08 1qyq h ILE 188 N 1.92 1.26 -3.51 0.56 2.04 -1.30 -3.45 117.51 115.02 1qyq h ILE 188 Ca -0.49 -2.56 -0.46 0.00 1.00 0.00 0.00 64.86 62.35 1qyq h ILE 188 Cb 1.25 2.99 0.10 0.00 -0.74 0.00 0.00 36.82 40.43 1qyq h ILE 188 CO 0.60 0.77 0.26 -0.83 0.00 0.00 0.00 178.15 178.95 1qyq s GLY 189 N -4.69 1.73 -0.14 5.37 0.00 -1.26 -5.00 107.32 103.33 1qyq s GLY 189 Ca -0.14 -1.17 0.18 0.00 0.00 0.00 0.00 44.72 43.60 1qyq s GLY 189 CO 0.86 -0.62 1.66 1.22 0.00 0.00 0.00 173.10 176.22 1qyq n ASP 190 N -3.14 4.98 -4.90 1.64 9.92 -1.26 -4.99 116.55 118.80 1qyq n ASP 190 Ca 0.11 -2.53 -0.29 0.00 -0.53 0.00 0.00 54.79 51.56 1qyq n ASP 190 Cb 0.60 -0.61 0.08 0.00 -0.64 0.00 0.00 41.12 40.55 1qyq n ASP 190 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1qyq s GLY 191 N -0.87 1.61 0.24 0.44 0.00 -1.26 -5.03 107.32 102.45 1qyq s GLY 191 Ca 0.52 -0.63 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 1qyq s GLY 191 CO 0.24 -0.18 1.26 2.56 0.00 0.00 0.00 173.10 176.97 1qyq s PRO 192 N -5.48 4.44 0.18 2.90 0.04 -1.26 -5.05 135.00 130.77 1qyq s PRO 192 Ca 0.61 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.75 1qyq s PRO 192 Cb -0.11 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1qyq s PRO 192 CO 0.49 -0.13 -0.18 0.14 0.04 0.00 0.00 177.00 177.35 1qyq s VAL 193 N -0.40 1.87 -0.24 -0.36 -7.23 -1.26 -4.70 120.40 108.07 1qyq s VAL 193 Ca 0.52 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.51 1qyq s VAL 193 Cb -0.36 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1qyq s VAL 193 CO 0.42 -0.35 0.60 -0.76 -0.31 0.00 0.00 175.10 174.69 1qyq s LEU 194 N -2.80 4.08 -0.46 1.32 1.43 -1.26 -5.03 118.68 115.96 1qyq s LEU 194 Ca 0.18 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 1qyq s LEU 194 Cb -0.05 -2.81 0.06 0.00 0.03 0.00 0.00 46.19 43.42 1qyq s LEU 194 CO 0.07 -0.33 0.38 -0.76 0.23 0.00 0.00 176.35 175.95 1qyq s LEU 195 N 2.31 5.48 0.83 1.79 1.43 -1.26 -4.00 118.68 125.26 1qyq s LEU 195 Ca 0.25 -1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 1qyq s LEU 195 Cb -0.16 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 43.97 1qyq s LEU 195 CO 0.09 -0.61 1.10 -2.16 0.23 0.00 0.00 176.35 175.00 1qyq s PRO 196 N 1.68 1.79 0.61 1.29 0.04 -1.26 -4.96 135.00 134.19 1qyq s PRO 196 Ca 0.05 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.71 1qyq s PRO 196 Cb -0.23 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1qyq s PRO 196 CO 0.08 -1.82 0.85 -0.51 0.04 0.00 0.00 177.00 175.63 1qyq s ASP 197 N -3.83 4.99 0.05 6.66 1.01 -1.26 -3.76 116.67 120.53 1qyq s ASP 197 Ca 0.62 -0.10 -0.30 0.00 0.71 0.00 0.00 52.55 53.47 1qyq s ASP 197 Cb -0.15 -0.62 -0.08 0.00 1.01 0.00 0.00 42.92 43.07 1qyq s ASP 197 CO 0.55 -1.37 1.79 0.20 0.21 0.00 0.00 175.17 176.55 1qyq s ASN 198 N -4.52 6.52 0.33 0.27 -0.87 -1.26 -4.75 114.94 110.66 1qyq s ASN 198 Ca 0.60 2.56 -0.05 0.00 -1.57 0.00 0.00 52.86 54.40 1qyq s ASN 198 Cb -0.09 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.62 1qyq s ASN 198 CO 0.40 -0.97 0.54 0.00 -2.57 0.00 0.00 177.10 174.50 1qyq n HIS 199 N 6.49 -1.66 -4.15 2.20 1.44 -1.01 -4.99 115.22 113.54 1qyq n HIS 199 Ca 0.18 -2.01 -0.10 0.00 -2.01 0.00 0.00 57.72 53.78 1qyq n HIS 199 Cb 0.41 0.62 -0.10 0.00 0.12 0.00 0.00 29.99 31.03 1qyq n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1qyq s TYR 200 N -3.00 0.82 -0.23 -1.40 -0.85 -0.54 -0.59 117.35 111.55 1qyq s TYR 200 Ca 0.23 -1.11 -0.02 0.00 -0.52 0.00 0.00 57.07 55.65 1qyq s TYR 200 Cb -0.02 -0.49 0.02 0.00 0.38 0.00 0.00 41.96 41.84 1qyq s TYR 200 CO 0.16 -0.38 -0.07 -0.51 -1.52 0.00 0.00 175.55 173.24 1qyq s LEU 201 N -3.03 3.01 -0.32 -3.49 1.43 -0.35 -0.56 118.68 115.37 1qyq s LEU 201 Ca 0.17 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.31 1qyq s LEU 201 Cb 0.07 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1qyq s LEU 201 CO -0.02 -0.09 0.90 -0.55 0.23 0.00 0.00 176.35 176.82 1qyq s SER 202 N 1.37 6.75 0.05 2.29 0.15 0.19 -1.09 113.70 123.41 1qyq s SER 202 Ca 0.02 0.76 0.09 0.00 0.70 0.00 0.00 55.95 57.52 1qyq s SER 202 Cb -0.16 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1qyq s SER 202 CO -0.05 -0.73 -0.24 -0.89 1.20 0.00 0.00 173.24 172.53 1qyq s THR 203 N 3.24 2.36 -0.02 6.45 2.01 0.16 -0.94 115.64 128.90 1qyq s THR 203 Ca 0.37 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1qyq s THR 203 Cb -0.13 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.45 1qyq s THR 203 CO 0.14 0.34 0.02 -1.58 -0.69 0.00 0.00 174.62 172.85 1qyq s GLN 204 N -1.36 0.10 0.02 4.92 0.74 -0.31 -1.81 119.66 121.95 1qyq s GLN 204 Ca 0.13 0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.73 1qyq s GLN 204 Cb -0.10 -0.36 -0.02 0.00 1.10 0.00 0.00 33.01 33.64 1qyq s GLN 204 CO 0.03 -0.16 -0.12 -1.12 -0.55 0.00 0.00 175.29 173.37 1qyq s SER 205 N 1.10 1.44 -0.10 6.67 0.01 -1.26 -0.72 113.70 120.84 1qyq s SER 205 Ca -0.09 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1qyq s SER 205 Cb -0.13 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1qyq s SER 205 CO -0.03 0.07 -0.13 0.00 0.41 0.00 0.00 173.24 173.57 1qyq s ALA 206 N -0.59 1.52 -0.12 1.44 0.00 0.25 -4.52 121.76 119.74 1qyq s ALA 206 Ca 0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1qyq s ALA 206 Cb -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1qyq s ALA 206 CO 0.00 -0.13 0.05 -0.51 0.00 0.00 0.00 175.76 175.17 1qyq s LEU 207 N 1.12 3.86 0.31 0.00 1.43 -1.26 -1.43 118.68 122.70 1qyq s LEU 207 Ca -0.05 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1qyq s LEU 207 Cb -0.14 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1qyq s LEU 207 CO -0.03 0.33 0.44 -0.94 0.23 0.00 0.00 176.35 176.38 1qyq s SER 208 N -0.58 0.63 0.13 2.29 1.04 -0.43 -4.90 113.70 111.88 1qyq s SER 208 Ca 0.11 -1.36 0.10 0.00 0.48 0.00 0.00 55.95 55.28 1qyq s SER 208 Cb -0.12 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1qyq s SER 208 CO 0.02 -1.22 -0.26 -0.54 0.98 0.00 0.00 173.24 172.23 1qyq s LYS 209 N -3.37 1.36 -0.36 4.02 -0.14 -1.26 -1.57 119.74 118.41 1qyq s LYS 209 Ca 0.30 -1.33 -0.21 0.00 -1.36 0.00 0.00 55.97 53.37 1qyq s LYS 209 Cb 0.00 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1qyq s LYS 209 CO 0.17 0.42 0.64 0.34 -0.76 0.00 0.00 175.35 176.16 1qyq s ASP 210 N -2.08 6.42 0.56 2.83 -1.08 -1.26 -4.96 116.67 117.11 1qyq s ASP 210 Ca 0.13 0.12 0.27 0.00 -0.52 0.00 0.00 52.55 52.55 1qyq s ASP 210 Cb -0.10 -2.33 1.50 0.00 -1.46 0.00 0.00 42.92 40.53 1qyq s ASP 210 CO 0.06 -0.61 2.03 1.55 0.52 0.00 0.00 175.17 178.72 1qyq h PRO 211 N 8.49 0.00 -0.02 4.34 0.13 -2.04 -2.09 132.00 140.81 1qyq h PRO 211 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1qyq h PRO 211 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qyq h PRO 211 CO 0.84 0.00 -0.06 0.09 -0.23 0.00 0.00 178.00 178.64 1qyq n ASN 212 N -4.06 2.12 -4.68 1.44 3.02 -1.26 -4.89 115.26 106.95 1qyq n ASN 212 Ca 0.06 -1.66 -0.38 0.00 -0.03 0.00 0.00 54.58 52.57 1qyq n ASN 212 Cb 0.48 0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.63 1qyq n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1qyq s GLU 213 N -2.08 4.21 -0.01 3.52 2.56 -0.79 -4.96 118.70 121.15 1qyq s GLU 213 Ca 0.31 0.28 0.22 0.00 0.00 0.00 0.00 54.97 55.78 1qyq s GLU 213 Cb 0.20 -3.51 -0.30 0.00 2.00 0.00 0.00 34.13 32.52 1qyq s GLU 213 CO 0.35 -0.00 0.57 1.63 -0.56 0.00 0.00 175.26 177.25 1qyq n LYS 214 N 4.32 0.57 -1.72 4.30 5.02 -1.26 -4.89 118.16 124.50 1qyq n LYS 214 Ca -0.08 -0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 55.75 1qyq n LYS 214 Cb 0.51 -1.54 0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1qyq n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qyq s ARG 215 N -3.44 3.23 -0.16 1.97 0.52 -1.26 -4.96 118.95 114.84 1qyq s ARG 215 Ca -0.05 0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 55.70 1qyq s ARG 215 Cb 0.14 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 1qyq s ARG 215 CO 0.90 -0.86 1.61 0.34 0.02 0.00 0.00 175.30 177.31 1qyq s ASP 216 N -4.00 6.50 0.29 0.23 -1.08 -1.26 -4.95 116.67 112.40 1qyq s ASP 216 Ca 0.57 1.82 0.01 0.00 -0.52 0.00 0.00 52.55 54.43 1qyq s ASP 216 Cb -0.12 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.78 1qyq s ASP 216 CO 0.54 -1.13 0.30 -1.38 0.52 0.00 0.00 175.17 174.03 1qyq s HIS 217 N 4.76 1.34 -0.21 -5.34 -3.43 -1.26 -0.94 115.29 110.21 1qyq s HIS 217 Ca 0.71 -1.43 -0.13 0.00 -0.80 0.00 0.00 55.06 53.41 1qyq s HIS 217 Cb -0.27 -0.46 0.06 0.00 -1.43 0.00 0.00 32.58 30.48 1qyq s HIS 217 CO 0.28 -0.88 0.51 1.41 -2.00 0.00 0.00 174.74 174.06 1qyq s MET 218 N -3.58 0.52 -0.22 -0.38 1.75 -0.64 -4.99 119.30 111.77 1qyq s MET 218 Ca 0.37 0.91 -0.06 0.00 -1.25 0.00 0.00 55.69 55.65 1qyq s MET 218 Cb 0.03 0.08 -0.03 0.00 2.84 0.00 0.00 34.83 37.75 1qyq s MET 218 CO 0.20 -0.14 0.03 0.08 -0.65 0.00 0.00 175.02 174.54 1qyq s VAL 219 N 1.28 4.09 -0.08 10.11 1.01 -0.61 -0.21 120.40 135.98 1qyq s VAL 219 Ca -0.08 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1qyq s VAL 219 Cb -0.07 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1qyq s VAL 219 CO -0.13 0.39 -0.16 -0.22 0.00 0.00 0.00 175.10 174.99 1qyq s LEU 220 N 1.26 2.60 -0.16 3.92 2.96 0.67 -1.31 118.68 128.62 1qyq s LEU 220 Ca 0.04 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1qyq s LEU 220 Cb -0.15 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.02 1qyq s LEU 220 CO 0.02 0.25 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.92 1qyq s LEU 221 N -0.17 1.83 -0.04 -0.68 2.96 -0.51 -1.02 118.68 121.04 1qyq s LEU 221 Ca -0.01 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1qyq s LEU 221 Cb -0.13 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 1qyq s LEU 221 CO 0.03 -0.03 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.24 1qyq s GLU 222 N 1.38 1.82 -0.20 1.98 2.02 -0.27 -0.58 118.70 124.85 1qyq s GLU 222 Ca 0.04 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1qyq s GLU 222 Cb -0.13 -1.59 0.04 0.00 0.10 0.00 0.00 34.13 32.55 1qyq s GLU 222 CO -0.11 0.26 -0.12 -0.06 0.02 0.00 0.00 175.26 175.25 1qyq s PHE 223 N 0.01 2.62 -0.07 1.61 0.40 0.10 -1.41 117.98 121.24 1qyq s PHE 223 Ca -0.03 -1.72 0.04 0.00 -0.60 0.00 0.00 56.93 54.61 1qyq s PHE 223 Cb -0.11 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1qyq s PHE 223 CO 0.02 -0.78 -0.18 0.08 0.70 0.00 0.00 175.22 175.06 1qyq s VAL 224 N 1.33 1.57 -0.03 -0.44 1.01 0.02 -1.16 120.40 122.70 1qyq s VAL 224 Ca -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1qyq s VAL 224 Cb -0.16 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1qyq s VAL 224 CO -0.09 0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 174.57 1qyq s THR 225 N 0.37 0.22 0.28 3.92 2.01 -0.11 -1.27 115.64 121.07 1qyq s THR 225 Ca -0.13 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 1qyq s THR 225 Cb -0.16 -0.28 -0.09 0.00 0.01 0.00 0.00 72.50 71.98 1qyq s THR 225 CO 0.05 0.14 0.98 0.00 -0.69 0.00 0.00 174.62 175.10 1qyq s ALA 226 N 0.79 3.29 0.31 7.40 0.00 0.09 0.53 121.76 134.17 1qyq s ALA 226 Ca -0.08 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.44 1qyq s ALA 226 Cb -0.11 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1qyq s ALA 226 CO -0.01 0.10 0.52 0.00 0.00 0.00 0.00 175.76 176.36 1qyq s ALA 227 N -1.34 0.15 0.00 0.00 0.00 0.27 -4.55 121.76 116.29 1qyq s ALA 227 Ca 0.46 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1qyq s ALA 227 Cb -0.25 1.06 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1qyq s ALA 227 CO 0.31 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.64